SAMSON

More parts are available on #SAMSON Connect. Download or view in the browser. I still have the simulation files in the git library, link in comment. samson-connect.net/TomMoore

🎉 Introducing the SAMSON Ensemble Plan! 🚀To kick off 2025, we’re excited to introduce the SAMSON Ensemble Plan, a new subscription plan that includes all professional SAMSON functionality for molecular design, and an outstanding collection of — fourteen — expert extensions for docking, molecular dynamics simulation, normal mode analysis, conformer analysis, and so much more. 🧬✨ Rooted in OneAngstrom's mission to democratize molecular design, the Ensemble Plan offers unmatched value by combining cutting-edge tools — each individually worth significantly more — into a single, accessible bundle designed to empower researchers and innovators across the globe. 📢 Site Licenses Now also for Commercial Organizations! 🏢 We’ve expanded our site license program beyond academia to include commercial organizations! Now, research teams, startups, and enterprises can access SAMSON’s power and versatility with the same convenience and affordability. Empower your entire team to collaborate and innovate like never before! 🌍 🎁 Limited-time Launch Offer 🎁 Until January 31, enjoy an exclusive 50% discount with the coupon ENSEMBLE2025. Don’t miss this unique opportunity to supercharge your modeling! 👉 Learn more about the Ensemble Plan: samson-connect.net/pricing PS: we've also just released a new version of SAMSON which includes various improvements and fixes. As usual, restart your SAMSON to get offered to update.

Do you have a master in computer science, computational chemistry or computational biology ? We have a fully funded PhD position opening to develop ML-based pKa prediction methods ! Science Twitter (X?), could you please help us spread the word ?

🎉 Ready to explore new molecular design workflows? Join us for an exclusive introduction to SAMSON 2024 in this upcoming webinar! What will you learn? 🤖 Experience SAMSON AI, your GPT-4o-powered modeling assistant 🔬Visualize biophysical properties with Interactive Sequence Views ☁️ Control your cloud calculations with the new Job Manager 🎨 Create stunning visualizations effortlessly using the Visual Preset Editor and new color schemes 🧩 Master advanced selections with the upgraded Node Specification Language 🐍 Unleash your creativity in the integrated Python Development Environment 🤝 Collaborate securely with the latest tools in SAMSON and SAMSON Connect 📅 When? September 26, 2024 | 8am PST | 11am EST | 5pm CET 🔗 Don’t miss out! Register now to secure your spot. Link in the first comment! #MolecularDesign #AI #Webinar #SAMSON2024

🎉 Introducing the SAMSON Academic Site License! We are excited to announce the launch of the SAMSON Academic Site License — a new initiative designed to empower universities and research institutions with unlimited access to SAMSON and over 90 extensions. At OneAngstrom, we believe in the power of education and research to drive innovation and solve the world’s most pressing challenges. The SAMSON Academic Site License is a significant step forward in our commitment to supporting the global scientific community. Key Benefits of the SAMSON Academic Site License 🔬 Unlimited Access: All faculty, researchers, and students in your group, department or entire institution enjoy unlimited access to SAMSON and over 90 extensions, enabling seamless integration into coursework, research projects, and collaborative efforts. 💼 Automatic licensing: With the Academic Site License, everyone with your email domain automatically gains full access to the entire package. Say goodbye to time-consuming user management. 🌐 For everyone, at the same time: With the Academic Site License, every user has unlimited access to SAMSON and all included extensions, anytime, without restrictions. No more tracking tokens or managing user access — enjoy seamless usage without the hassle. 📈 Training included: With the Academic Site License, all group leaders and faculty members receive complimentary onboarding sessions to quickly master SAMSON. From AI, construction and simulation to analysis, rendering, animation, scripting, and preparing executable SAMSON documents for lectures and research tasks — SAMSON will soon hold no secrets for you. 💎 Maximize value, minimize cost: The Academic Site License is the most cost-effective way to unlock the full power of SAMSON, providing unlimited access to all Professional features and over 90 extensions. Empower your institution with cutting-edge capabilities while staying within budget. Why Choose SAMSON? SAMSON is trusted by leading researchers and institutions around the world for its versatility, advanced features, and user-friendly interface. Join the SAMSON Community Today! Be part of a growing network of academic institutions, biotechs and pharmas that are using SAMSON to enhance education, accelerate research, and drive innovation. With the Academic Site License, your institution can provide the next generation of scientists and engineers with the tools they need to succeed. We look forward to welcoming your institution to the SAMSON community! Learn more with the link in the next tweet! 🔗

SAMSON 2024 is out! Sequence Views, Visual Presets, Profiles, Groups, Docs and Jobs Sharing: SAMSON 2024 is a major release that brings a ton of new features and improvements throughout SAMSON and SAMSON Connect: ✨ Core updates: SAMSON 2024 introduces interactive Sequence Views, integrates GPT4o as a foundation for SAMSON AI, and has an upgraded Job Manager to handle cloud calculations (Alphafold, NVIDIA BioNeMo Services, GROMACS, etc.). 🌟 Visualization and Animation: SAMSON 2024 has a completely redesigned Visual Preset Editor, new color schemes and color palettes, and two new powerful animation templates that enable simulation-based design. 💡Modeling: SAMSON 2024 has a significantly enriched Node Specification Language to perform quick, advanced selections, and offers a variety of quality-of-life improvements to editors. 🐍 Coding: SAMSON 2024 offers new facilities to rapidly write and run Python scripts. 👥 Collaboration: SAMSON 2024 and SAMSON Connect introduce many novel functionalities for collaborative work, from the creation of public or private profiles, groups, documents and jobs, as well as Advanced Permissions Management to controllably share data with users and groups. Learn more at documentation.samson-connect… #drugdesign #molecularmodeling #SAMSON

🎉🎵 Just in time to party this week-end, announcing "Atom by Atom", the Udio-generated song about SAMSON, the molecular design platform! Both hilarious and incredibly catchy!😂 CC @LinusEkenstam @BrianRoemmele @rowancheung @udiomusic udio.com/songs/tczUFzpdYpHAr… Lyrics Codes, codes, codes when they boot it up, boot it up Feel the data— [Drop] Digits race [Chorus] Every atom's aligned when they boot it up Watch the molecules change, it's a digital space Every design refined, SAMSON's gearing up Lines in motion, defining the scope, define, refine With a click and a code, the future's in sight Fusion of science and art, it's a visual craze With SAMSON's touch, the microcosm awakes [Chorus] A paradigm shift when they boot it up Breaking the bonds, transforming the frame Shift, shift, shift, let the atoms play, play, play Synthesize, visualize in a brand new way, way, way [Verse 3] Within the screen, the elements dance, dance, dance Alchemy's modern, take a techno stance, stance, stance [Chorus] SAMSON's rhythm in the virtual night Syncing the world atom by atom, it's right Bits and bytes, they're flowing so tight, tight, tight Nano-scales breaking down, fueled by the light, light, light [Verse 4] Pixels ignite with a quantum leap, leap, leap SAMSON's at the helm, in the code so deep, deep, deep [Chorus] It's a digital dance when they boot it up Re-arranging the core, it's a techno rush SAMSON, SAMSON, envisions the unseen, unseen, unseen From atoms to cells in a digital dream, dream, dream [Verse 5] Blueprints evolve as simulations stride, stride, stride Molecular worlds where science and dreams collide, collide, collide [Chorus] Flip the switch and it's a new dimension's flight SAMSON's graphing out pathways, tight, tight, tight Code streams flow in the virtual night, night, night SAMSON shaping futures from a byte, byte, byte Algorithms pulsing with every beat, beat, beat From nano-blocks to epochs, it's an endless feat, feat, feat [Drop] Let the circuits run [Chorus] Creating worlds, one atom at a time, time, time

🌟 Open PhD Candidate position at OneAngstrom 🌟 We are thrilled to share that, as a member of the PhotoCaM Marie Skłodowska-Curie Actions Doctoral Network, OneAngstrom is seeking a highly motivated individual with a strong background in computer science. 🚀 Key Responsibilities: Develop and implement innovative computational methods for accurate pKa prediction. Collaborate with our European partners, contributing to a rich, international research environment. Prerequisites: - Master’s degree in Computer Science or a related field. - Demonstrated expertise in computational methods, algorithms, and programming. - Strong analytical and problem-solving skills. - Excellent communication and teamwork abilities. Unique Opportunity: Be a part of an EU-funded international network, gaining unparalleled exposure. Travel across Europe to collaborate with our network partners, enriching your research experience and cultural understanding. If you have a strong computational background and a drive to innovate, we would love to hear from you! 📩 How to apply: Contact us through here or send a mail to [email protected] About PhotoCaM: Photosynthesis relies on harvesting the sun light and on transforming the solar energy into chemical energy to sustain almost all life on earth. An enhanced molecular-level understanding of photosynthesis and particularly of the light-harvesting process is of key significance. In this Doctoral Network we aim at training a new generation of computational scientists which can treat complex and interdisciplinary problems such as light harvesting on a molecular level using theoretical and computational tools. The interdisciplinary nature of the problem requires a combined knowledge from biology, chemistry, physics and computer science in order to combine state-of-the-art approaches like molecular dynamics simulations, quantum chemistry, theoretical spectroscopy and machine learning into multi-scale schemes. This joint undertaking is a unique chance in research but especially also in training young scientists in interdisciplinary teamwork, method training and high-performance computing in academic as well as non-academic settings. constructor.university/resea… Network Partners: Constructor University, Bremen, Germany University of Patras, Greece University of Pisa, Italy University of Groningen, Netherlands Vilnius University, Lithuania ICFO – Institute of Photonic Sciences, Castelldefels, Spain Johannes Kepler University Linz, Austria Karlsruhe Institute of Technology, Germany Faccts GmbH, Cologne, Germany OneAngstrom SAS, Grenoble, France #OneAngstrom #phdposition #ComputationalResearch #EUResearch #CareerOpportunity

🛠 Monday is Modeling Tip Day ! To quickly add symmetric replicas in SAMSON, use the Symmetry Mate Editor. This free extension lets you interactively generate symmetry mates of a protein based on the crystallographic information from a PDB file.

✨ Wednesday is AI Tip Day ! (new series !) To make your SAMSON AI do something, begin your prompt with /do. And if you prefer to speak, just say do (turn the sound on for the video example below). This is an example of retrieval-augmented agency (RAA), where knowledge about SAMSON and its extensions allows the GPT-4-based SAMSON AI to act on user prompts. This is still very preliminary, but should regularly improve - thanks to SAMSON's open architecture - as more extensions, commands, models, etc., become integrated.

💡Tuesday is Render Tip Day! To quickly create an animation of two or more molecules assembling, select them and double-click the Assemble button in the Animator (Ctrl / Cmd + 7). This will automatically determine the initial and final position of each molecule, and add the assemble animation to the active presentation. You can then change the begin and end keyframes in the animator, and change the amplitude and easing curve of the motion in the Inspector (Ctrl / Cmd + 2).

🛠 Monday is Modeling Tip Day ! To edit protein side-chain conformations in SAMSON, use the Rotamers editor extension based on @RolandDunbrack's famed library. Select a residue, then choose the rotamer you want to use from the corresponding table. Potential clashes will be automatically detected and shown in the viewport.

Link to the document containing the animation: samson-connect.net/app/main?…

🛠 Monday is Modeling Tip Day ! To bend helices, move loops, etc., and generally perform natural, large-scale modifications, use the Twister editor (shortcut T). The editor allows you to add constraints. When constraints are moved, the rest of the atoms are moved as rigidly as possible.

🚀Introducing SAMSON 2023 R1: The Mega Update That Revolutionizes SAMSON! 🚀 ✨ SAMSON AI: Imagine an intelligent assistant that doesn't just answer your questions but executes commands for you, all within the SAMSON platform. From quick selections to generating Python scripts, SAMSON AI is your new go-to modeling companion. 🌟 Molecular Cycles: Unveil the artist in you! With the integration of the Cycles Renderer from Blender, create stunning, studio-quality images and animations. Control materials, lights, and more for unparalleled visuals. 🐍 Integrated Python Dev Environment: SAMSON Documents just went from static to dynamic! Now embed Python scripts, research papers, machine learning apps, and so much more. Share your documents, and let your colleagues or students run your apps with a single click! 👉 Learn more about SAMSON 2023 R1 at documentation.samson-connect… #SAMSON #Cycles #AI #Python

A big thank you to all our sponsors: @Evotec , @Carbios , @qubit_pharma , le GDR DIM, @INSAToulouse , @LaasCNRS , @ANITI_Toulouse , @SAMSONConnect , @TBI_Biotech , Schrödinger , and a very special thank you to @cecamEvents and the SGO node!